4-Bromobenzenemethanamine

C₇H₈BrNCAS 3959-07-7186.05 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₈BrN
Molar mass: 186.05 g/mol
Exact mass: 184.9840 Da
Melting point: 20 °C
Boiling point: 250 °C
logP: 1.91Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

3959-07-7

SMILES

NCc1ccc(Br)cc1

InChIKey

XRNVSPDQTPVECU-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Benzenemethanamine, 4-bromo-
Benzylamine, p-bromo-
4-Bromobenzylamine
p-Bromobenzylamine
p-Bromobenzenemethanamine
(4-Bromophenyl)methanamine
1-(4-Bromophenyl)methanamine

Work with 4-Bromobenzenemethanamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromobenzylamine hydrochloride26177-44-686 % similar P-Xylylenediamine539-48-067 % similar 4-Bromophenethylamine73918-56-661 % similar 4-Hydroxybenzylamine696-60-657 % similar 4-Aminobenzylamine4403-71-852 % similar 4-Bromobenzyl bromide589-15-152 % similar Benzylamine100-46-950 % similar 4-Methylbenzylamine104-84-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Bromobenzylamine10269-01-9 4-Bromo-2,3-dimethylpyridine259807-91-5 3-Bromo-2,4-dimethylpyridine27063-93-0 5-Bromo-2-methylbenzenamine39478-78-9 2-Bromo-3-methylbenzenamine54879-20-8 3-Bromo-2-methylaniline55289-36-6 2-Bromo-4-methylaniline583-68-6 4-Bromo-2-methylaniline583-75-5

Elsewhere

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